[2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine

C18H20ClNO — CID 114318313

IUPAC[2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1OCC1CCCc2ccccc21
InChIInChI=1S/C18H20ClNO/c19-17-9-4-10-18(16(17)11-20)21-12-14-7-3-6-13-5-1-2-8-15(13)14/h1-2,4-5,8-10,14H,3,6-7,11-12,20H2
InChIKeyLIFIAFYAPBLWPN-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.30
Rot. Bonds4

About [2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine

[2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine (PubChem CID 114318313) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is [2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine
PubChem CID114318313
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name[2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1OCC1CCCc2ccccc21
InChIInChI=1S/C18H20ClNO/c19-17-9-4-10-18(16(17)11-20)21-12-14-7-3-6-13-5-1-2-8-15(13)14/h1-2,4-5,8-10,14H,3,6-7,11-12,20H2
InChIKeyLIFIAFYAPBLWPN-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 107715792
[3-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine
CID 63771057
2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63772089
1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 83056818
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771052
1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene
CID 107691161
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile
CID 102724073
1-[(5-bromo-2-fluorophenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 114672636
[2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine
CID 114318452
1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 142874609
1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene
CID 115956622

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine (CID 114318313) is [2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine is NCc1c(Cl)cccc1OCC1CCCc2ccccc21.
What is the InChIKey of [2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine?
The InChIKey is LIFIAFYAPBLWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-17-9-4-10-18(16(17)11-20)21-12-14-7-3-6-13-5-1-2-8-15(13)14/h1-2,4-5,8-10,14H,3,6-7,11-12,20H2.
What are the key properties of [2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine?
[2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine has a molecular weight of 301.82 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 114318313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).